Metabolite Dihydrotestosterone undecanoate
- Name
- Dihydrotestosterone undecanoate
- Description
- Not Available
- Structure
Structure for Dihydrotestosterone undecanoate
- Synonyms
- Not Available
- UNII
- 8DVD393EG2
- CAS number
- Not Available
- Weight
- Average: 458.727
Monoisotopic: 458.37599547 - Chemical Formula
- C30H50O3
- InChI Key
- AOQIVBOEDICQDB-KNWHVVHCSA-N
- InChI
- InChI=1S/C30H50O3/c1-4-5-6-7-8-9-10-11-12-28(32)33-27-16-15-25-24-14-13-22-21-23(31)17-19-29(22,2)26(24)18-20-30(25,27)3/h22,24-27H,4-21H2,1-3H3/t22-,24-,25-,26-,27-,29-,30-/m0/s1
- IUPAC Name
- (1S,3aS,3bR,5aS,9aS,9bS,11aS)-9a,11a-dimethyl-7-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl undecanoate
- SMILES
- CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
- Reactions
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 248.7161296 predictedDarkChem Lite v0.1.0 [M-H]- 208.08951 predictedDeepCCS 1.0 (2019) [M+H]+ 248.2587296 predictedDarkChem Lite v0.1.0 [M+H]+ 210.27333 predictedDeepCCS 1.0 (2019) [M+Na]+ 248.7337296 predictedDarkChem Lite v0.1.0 [M+Na]+ 216.01375 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 31046138
- ZINC
- ZINC000072399732
- Wikipedia
- Dihydrotestosterone_undecanoate
- Predicted Properties
Property Value Source Water Solubility 2.91e-05 mg/mL ALOGPS logP 6.91 ALOGPS logP 8.11 Chemaxon logS -7.2 ALOGPS pKa (Strongest Basic) -6.9 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 43.37 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 134.19 m3·mol-1 Chemaxon Polarizability 58.46 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon